%chk=000028894.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028894

0 1
 O   -2.949500     -0.2726000      -1.588400    
 O    1.985500      -2.254700      0.5263000    
 O    1.148300       2.440600      9.1200002E-02
 O    2.921200      0.3521000      0.4989000    
 N   -4.871300     -0.2678000      0.5585000    
 C   -2.570800     -0.6986000     -0.2726000    
 C   -1.119700     -0.4211000     -6.9399998E-02
 C   -3.453700      1.6899999E-02  0.7692000    
 C  -0.6523000      0.8931000     -8.3499998E-02
 C  -0.2299000      -1.475600      0.1356000    
 C    1.127200      -1.215900      0.3264000    
 C   0.7049000       1.152700      0.1073000    
 C    1.594600      9.8200001E-02  0.3123000    
 C    2.586400      -2.830900     -0.6318000    
 C   0.1734000       3.459100     -0.1244000    
 C    3.605700       1.024700     -0.5555000    
 H   -2.760300      -1.778400     -0.2247000    
 H   -3.337500       1.103800      0.7034000    
 H   -3.167300     -0.2881000       1.782300    
 H   -1.379700       1.676100     -0.2642000    
 H  -0.5855000      -2.503000      0.1493000    
 H   -3.902200     -0.4432000      -1.684400    
 H   -5.417300      0.1711000       1.298700    
 H   -5.033300      -1.270800      0.6397000    
 H    3.181800      -2.086800      -1.169700    
 H    1.820600      -3.248500      -1.293100    
 H    3.247400      -3.639500     -0.3082000    
 H  -0.5683000       3.486400      0.6812000    
 H  -0.2866000       3.374700      -1.114900    
 H   0.7008000       4.418500     -0.1014000    
 H    3.644100       2.098500     -0.3524000    
 H    3.147200      0.8371000      -1.532800    
 H    4.632700      0.6487000     -0.5836000    


%chk=000028894-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028894

0 1
O -3.469046 0.718931 -0.985023
O 1.580817 -2.442588 0.326602
O 1.267938 2.420731 -0.278084
O 2.851028 0.210429 0.296629
N -4.950113 -0.522189 0.853013
C -2.838878 -0.470889 -0.426554
C -1.332799 -0.288292 -0.319184
C -3.484348 -0.724074 0.977537
C -0.767876 1.004557 -0.404035
C -0.505296 -1.404052 -0.094119
C 0.895276 -1.247496 0.062478
C 0.622878 1.169483 -0.240455
C 1.479393 0.049837 0.000897
C 3.001320 -2.589829 -0.032034
C 0.419660 3.604393 -0.438740
C 3.687754 0.819338 -0.758745
H -3.054840 -1.352155 -1.074163
H -3.094043 0.034188 1.679465
H -3.191079 -1.723974 1.357773
H -1.439658 1.840512 -0.610115
H -0.907469 -2.421886 -0.053024
H -4.394311 0.687283 -0.578438
H -5.405723 -0.148975 1.690128
H -5.458206 -1.327992 0.472574
H 3.645799 -2.007151 0.643928
H 3.182102 -2.274040 -1.078134
H 3.198578 -3.669159 0.068202
H -0.315216 3.682546 0.385120
H -0.115180 3.588994 -1.407725
H 1.111263 4.459494 -0.405903
H 3.338538 1.838868 -0.989442
H 3.672483 0.195265 -1.675213
H 4.705854 0.846691 -0.339918


